SCHEMBL253019

SCHEMBL253019

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(OCC(=O)OCC)cc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN12 Q05209 2/20 0.61
PTPN22 Q9Y2R2 2/20 0.61
ALOX5 P09917 3/20 0.59
NPC1 O15118 6/20 0.52
MAPT P10636 6/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PTGS2 P35354 2/20 0.50
CSNK2A1 P68400 1/20 0.50
GAA P10253 3/20 0.49
VCP P55072 1/20 0.48
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL250646 0.89 ALOX5 (0.59) PTPN12PTPN22ALOX5NPC1MAPT
SCHEMBL249661 0.85 KMT2A (0.59) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL248227 0.85 CSNK2A1 (0.70) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL249562 0.85 ALOX5 (0.77) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL207938 0.84 PTGS2 (0.73) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL205162 0.84 PTGS2 (0.73) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL207473 0.83 MEN1 (0.58) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL208134 0.83 MEN1 (0.58) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL205490 0.83 MEN1 (0.58) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL206982 0.83 ALOX5 (0.60) ALOX5NPC1MAPTRAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 PTPN12 3865/4885PTPN22 3956/4885ALOX5 3410/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 PTPN12 3865/4885PTPN22 3956/4885ALOX5 3410/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.